6780-49-0

Basic information

• Product Name: ETHYL N-PHENYLFORMIMIDATE
• Synonyms: ETHYL PHENYLFORMAMIDATE;ETHYL N-PHENYLFORMIMIDATE;N-ETHOXYMETHYLENEANILINE;N-(ETHOXYMETHYLENE)BENZENEAMINE;N-PHENYLFORMIMIDIC ACID ETHYL ESTER;Ethyl isoformanilide;Ethyl phenylimidoformate;Methanimidic acid, N-phenyl-, ethyl ester
• CAS NO: 6780-49-0
• Molecular Formula: C₉H₁₁NO
• Molecular Weight: 149.19
• EINECS: 229-841-3
• Mol File: 6780-49-0.mol
• Article Data: 10

Chemical Properties

• Boiling Point: 112-114 °C (33 mmHg)
• Flash Point: 101-102°C/15mm
• Appearance: Colorless/Liquid
• Density: 1.01
• Vapor Pressure: 0.233mmHg at 25°C
• Refractive Index: 1.526-1.528
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 4.00±0.50(Predicted)
• Sensitive: Air & Moisture Sensitive
• CAS DataBase Reference: ETHYL N-PHENYLFORMIMIDATE(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL N-PHENYLFORMIMIDATE(6780-49-0)
• EPA Substance Registry System: ETHYL N-PHENYLFORMIMIDATE(6780-49-0)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 24/25-26
• WGK Germany: 3
• TSCA: Yes
• Hazardous Substances Data: 6780-49-0(Hazardous Substances Data)

Usage

Chemical Properties

clear colorless to slightly yellow liquid

Synthesis Reference(s)

Journal of the American Chemical Society, 71, p. 3848, 1949 DOI: 10.1021/ja01179a518Organic Syntheses, Coll. Vol. 4, p. 464, 1963

InChI:InChI=1/C9H11NO/c1-2-11-8-10-9-6-4-3-5-7-9/h3-8H,2H2,1H3/b10-8+

Upstream product

• 864131-95-3 N,N'-diphenylformamidine 
• 122-51-0 orthoformic acid triethyl ester 
• 142-04-1 aniline hydrochloride 
• 103-70-8 Formanilid 
• 75-03-6 ethyl iodide 
• 62-53-3 aniline 
• 917-58-8 potassium ethoxide 
• 68-12-2 N,N-dimethyl-formamide 
• 109-94-4 formic acid ethyl ester 
• 60-29-7 diethyl ether 
• 55948-95-3 formanilide; silver (I)-compound 
• 539-30-0 1-(ethoxymethyl)benzene 

Downstream Products

• 6988-90-5 3-ethyl-4-anilinomethylene-2-thioxo-thiazolidin-5-one 
• 49755-13-7 N-(p-methylphenyl)-N'-phenylformamidine 
• 16350-99-5 N-benzylformanilide 
• 30878-29-6 N-(4-chloro-phenyl)-N'-phenyl-formamidine 
• 2032-24-8 N,N'-di(p-chlorophenyl)formamidine 

Relevant articles and documents

Radical azidonation of benzylic positions with iodoninm azide

Introduction of an azido substituent at the α position of benzyl ethers can be achieved by treating them with IN3 in refluxing acetonitrile. Some of the products obtained after 20 min - 5 h are given.

NAPHTHOFURAN DERIVATIVES, PREPARATION, AND METHODS OF USE THEREOF

Provided herein are methods of preparation of I by reacting i with acid where R1 and R2 are each independently a leaving group. Intermediates to make i are also claimed.

Experimental and theoretical investigation of benzyl-N-pyrrolylketene, one- step procedure for preparing of new β-lactams by [2 +2] cycloaddition reaction

3-Phenyl-2-(1-H-pyrrol-1-yl) propanoic acid has been used as a ketene source in synthesizing of monocyclic-2-azetidinones. Hindrance in ketene and imines successfully controlled the diastereoselectivity of the reaction. For example, in some cases only one isomer was achieved. By using Mukaiyama reagent, the leaving group in acid was activated and the by-products were separated by simple aqueous work-up. DFT calculation indicated that the benzyl-N-pyrrolylketene has nonconjugated structure and the pyrrolyl ring is perpendicular to the ketene plane in both the twisted and planar structures.